N-(2-chlorophenyl)-2-[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-(4-phenyl-2-quinazolinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(4-phenylquinazolin-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C26H25ClN5O+ MolecularWeight: 458.9626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C26H24ClN5O/c27-21-11-5-7-13-23(21)28-24(33)18-31-14-16-32(17-15-31)26-29-22-12-6-4-10-20(22)25(30-26)19-8-2-1-3-9-19/h1-13H,14-18H2,(H,28,33)/p+1